ethyl 3,5-diformyl-4-hydroxybenzoate

C11H10O5 — CID 2325279

IUPACethyl 3,5-diformyl-4-hydroxybenzoate
SMILESCCOC(=O)c1cc(C=O)c(O)c(C=O)c1
InChIInChI=1S/C11H10O5/c1-2-16-11(15)7-3-8(5-12)10(14)9(4-7)6-13/h3-6,14H,2H2,1H3
InChIKeyDXSVGUGURKNATE-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.19
Rot. Bonds4

About ethyl 3,5-diformyl-4-hydroxybenzoate

ethyl 3,5-diformyl-4-hydroxybenzoate (PubChem CID 2325279) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 3,5-diformyl-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3,5-diformyl-4-hydroxybenzoate
PubChem CID2325279
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Nameethyl 3,5-diformyl-4-hydroxybenzoate
SMILESCCOC(=O)c1cc(C=O)c(O)c(C=O)c1
InChIInChI=1S/C11H10O5/c1-2-16-11(15)7-3-8(5-12)10(14)9(4-7)6-13/h3-6,14H,2H2,1H3
InChIKeyDXSVGUGURKNATE-UHFFFAOYSA-N
XLogP1.19
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-diformyl-4-hydroxybenzoate?
The IUPAC name of ethyl 3,5-diformyl-4-hydroxybenzoate (CID 2325279) is ethyl 3,5-diformyl-4-hydroxybenzoate.
What is the SMILES notation for ethyl 3,5-diformyl-4-hydroxybenzoate?
The canonical SMILES for ethyl 3,5-diformyl-4-hydroxybenzoate is CCOC(=O)c1cc(C=O)c(O)c(C=O)c1.
What is the InChIKey of ethyl 3,5-diformyl-4-hydroxybenzoate?
The InChIKey is DXSVGUGURKNATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-2-16-11(15)7-3-8(5-12)10(14)9(4-7)6-13/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 3,5-diformyl-4-hydroxybenzoate?
ethyl 3,5-diformyl-4-hydroxybenzoate has a molecular weight of 222.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-diformyl-4-hydroxybenzoate is sourced from PubChem (CID 2325279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).